3-(4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

C11H10F3NO2 — CID 10538310

IUPAC3-(4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCc1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C11H10F3NO2/c1-7-2-4-8(5-3-7)9-6-10(16,17-15-9)11(12,13)14/h2-5,16H,6H2,1H3
InChIKeyRHVCIEMTKZIUSR-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.37
Rot. Bonds1

About 3-(4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

3-(4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 10538310) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID10538310
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name3-(4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCc1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C11H10F3NO2/c1-7-2-4-8(5-3-7)9-6-10(16,17-15-9)11(12,13)14/h2-5,16H,6H2,1H3
InChIKeyRHVCIEMTKZIUSR-UHFFFAOYSA-N
XLogP2.37
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-(4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 10538310) is 3-(4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-(4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-(4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is Cc1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is RHVCIEMTKZIUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-7-2-4-8(5-3-7)9-6-10(16,17-15-9)11(12,13)14/h2-5,16H,6H2,1H3.
What are the key properties of 3-(4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-(4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 245.20 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 10538310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).